[1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol

C16H29N5O — CID 50965968

IUPAC[1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
SMILESCc1nc(N(C)C)nc(NCCN2CCCCC2CO)c1C
InChIInChI=1S/C16H29N5O/c1-12-13(2)18-16(20(3)4)19-15(12)17-8-10-21-9-6-5-7-14(21)11-22/h14,22H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyWMVDYAAMEIMYOO-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.42
Rot. Bonds6

About [1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol

[1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol (PubChem CID 50965968) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is [1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
PubChem CID50965968
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name[1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
SMILESCc1nc(N(C)C)nc(NCCN2CCCCC2CO)c1C
InChIInChI=1S/C16H29N5O/c1-12-13(2)18-16(20(3)4)19-15(12)17-8-10-21-9-6-5-7-14(21)11-22/h14,22H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyWMVDYAAMEIMYOO-UHFFFAOYSA-N
XLogP1.42
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-[2-[(1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 95870007
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
(2S)-1-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 95124971
[1-[2-(propan-2-ylamino)ethyl]azepan-2-yl]methanol
CID 116637148
[1-[2-(ethylamino)ethyl]azepan-2-yl]methanol
CID 116637146
[(2R)-1-[2-[[2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
CID 97144581
[1-[2-(propylamino)ethyl]azepan-2-yl]methanol
CID 116637143
[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417
[(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol
CID 97281554
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
CID 131923823
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol
CID 47523985
3-N,3-N-dimethyl-2-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazine-2,3-diamine
CID 135103231

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol (CID 50965968) is [1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol is Cc1nc(N(C)C)nc(NCCN2CCCCC2CO)c1C.
What is the InChIKey of [1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
The InChIKey is WMVDYAAMEIMYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-12-13(2)18-16(20(3)4)19-15(12)17-8-10-21-9-6-5-7-14(21)11-22/h14,22H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of [1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol?
[1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol has a molecular weight of 307.44 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 50965968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).